3-(3-Thienyl)benzyl mesylate

HCID 19917486
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)OCc1cccc(-c2ccsc2)c1
InChIKey
VMCTUEDQRQGLOX-UHFFFAOYSA-N
Molecular formula
C12H12O3S2
Average molar mass
268.4 g/mol

Names & identifiers

Preferred name
3-(3-Thienyl)benzyl mesylate
IUPAC
(3-thiophen-3-ylphenyl)methyl methanesulfonate

Names & synonyms

3-(3-thienyl)benzyl mesylateSCHEMBL9052675VMCTUEDQRQGLOX-UHFFFAOYSA-N

Database identifiers

PubChem CID
19917486

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
80 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

6 records
New reaction record

Compound notes

Loading…